CID 147351958

3-[3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propoxy]propanoic acid

Structural Information

Molecular Formula
C21H23NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCOCCC(=O)O
InChI
InChI=1S/C21H23NO5/c23-20(24)10-13-26-12-5-11-22-21(25)27-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,22,25)(H,23,24)
InChIKey
DFONVFIJNLSUGE-UHFFFAOYSA-N
Compound name
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.0
[M+Na]+ 392.14684 191.4
[M-H]- 368.15034 190.1
[M+NH4]+ 387.19144 201.6
[M+K]+ 408.12078 187.7
[M+H-H2O]+ 352.15488 179.4
[M+HCOO]- 414.15582 206.5
[M+CH3COO]- 428.17147 216.3
[M+Na-2H]- 390.13229 189.2
[M]+ 369.15707 191.8
[M]- 369.15817 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.